SCHEMBL22024693

SCHEMBL22024693

COC(=O)c1ccc(/C=C\CN2C(=O)C(F)(F)CC2C=O)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 14/20 0.44
▸ PTGER2 P43116 11/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15587052 1.00 PTGER4 (0.44) PTGER4PTGER2NPSR1HPGDTSHR
SCHEMBL16819443 1.00 PTGER4 (0.44) PTGER4PTGER2NPSR1HPGDTSHR
SCHEMBL16819439 1.00 PTGER4 (0.44) PTGER4PTGER2NPSR1HPGDTSHR
SCHEMBL16819436 1.00 PTGER4 (0.44) PTGER4PTGER2NPSR1HPGDTSHR
SCHEMBL28432254 0.89 PTGER4 (0.44) PTGER4PTGER2
SCHEMBL15551553 0.89 PTGER4 (0.44) PTGER4PTGER2
SCHEMBL15551554 0.89 PTGER4 (0.44) PTGER4PTGER2
SCHEMBL16408738 0.81 NPC1 (0.34) PTGER4PTGER2NPSR1HPGDMAPK1
SCHEMBL20852642 0.80 PTGER4 (0.33) PTGER4NPSR1HPGDTSHRMAPK1
SCHEMBL17475210 0.80 PTGER2 (0.36) PTGER4PTGER2NPSR1HPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176162-B1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2020-05-27 — — EP disclosed
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